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BDBM50333998 4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-1H-1,2,4-triazol-5(4H)-one::CHEMBL1644635

SMILES: Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1

InChI Key: InChIKey=AQGSJPJSRCAJNS-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50333998   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50333998
PNG
(4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...)
Show SMILES Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C22H20FN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)
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PubMed
n/an/a 380n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50333998
PNG
(4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...)
Show SMILES Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C22H20FN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)
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n/an/a 54n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50333998
PNG
(4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...)
Show SMILES Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C22H20FN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50333998
PNG
(4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...)
Show SMILES Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C22H20FN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50333998
PNG
(4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...)
Show SMILES Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C22H20FN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)
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n/an/a>500n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair